N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide

C12H21F3N2O3 — CID 86985517

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H21F3N2O3/c1-8(20-7-12(13,14)15)10(19)17(5)6-9(18)16-11(2,3)4/h8H,6-7H2,1-5H3,(H,16,18)
InChIKeyABCLRLFWFYKWQF-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.33
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 86985517) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID86985517
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H21F3N2O3/c1-8(20-7-12(13,14)15)10(19)17(5)6-9(18)16-11(2,3)4/h8H,6-7H2,1-5H3,(H,16,18)
InChIKeyABCLRLFWFYKWQF-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide (CID 86985517) is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is ABCLRLFWFYKWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-8(20-7-12(13,14)15)10(19)17(5)6-9(18)16-11(2,3)4/h8H,6-7H2,1-5H3,(H,16,18).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 298.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 86985517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).